tributyl-[2-oxidanyl-3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propyl]azanium chloride

Systemtic Name: tributyl-[2-oxidanyl-3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propyl]azanium chloride Openeye Name: tributyl-[2-hydroxy-3-(2-oxo-1,3-benzothiazol-3-yl)propyl]ammonium chloride CAS Name: tributyl-[2-hydroxy-3-(2-oxo-1,3-benzothiazol-3-yl)propyl]ammonium chloride IUPAC Name: tributyl-[2-hydroxy-3-(2-oxo-1,3-benzothiazol-3-yl)propyl]azanium chloride Traditional Name: tributyl-[2-hydroxy-3-(2-keto-1,3-benzothiazol-3-yl)propyl]ammonium chloride Formula: C22H37ClN2O2S MolecularWeight: 429.05938

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CC(CN1C2=CC=CC=C2SC1=O)O.[Cl-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CC(CN1C2=CC=CC=C2SC1=O)O.[Cl-]

InChI

InChI=1S/C22H37N2O2S.ClH/c1-4-7-14-24(15-8-5-2,16-9-6-3)18-19(25)17-23-20-12-10-11-13-21(20)27-22(23)26;/h10-13,19,25H,4-9,14-18H2,1-3H3;1H/q+1;/p-1